Mrv1533004251508152D 30 33 0 0 0 0 999 V2000 1.6288 2.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0319 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 1.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2526 0.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0043 -0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3483 0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 1.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5101 0.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 0.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7583 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6093 -0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2926 -1.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1113 -1.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8108 -1.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8776 -1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5128 -2.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6096 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1468 -0.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5483 -1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7306 -0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 5 26 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 M END > NP0274694 > NP-MRD > CC(=O)OC1C2CCC3C1(CC2(C)O)CC(O)C1(O)C(C(O)C(O)C1(C)C)C3(C)O > InChI=1S/C22H36O8/c1-10(23)30-17-11-6-7-12-20(5,28)15-14(25)16(26)18(2,3)22(15,29)13(24)8-21(12,17)9-19(11,4)27/h11-17,24-29H,6-9H2,1-5H3 > LKSCFTKFQYQCKX-UHFFFAOYSA-N > C22H36O8 > 428.522 > 428.241018119 > 7 > 66 > 44.94046418050529 > 1 > 6 > 0 > 0 > 3,4,6,7,9,14-hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-16-yl acetate > 0.23 > -1.5871158649999995 > -1.80 > 0 > 4 > 0 > 13.545795594054493 > 12.855454563205516 > -2.9372971844396787 > 147.68 > 105.1048 > 2 > 0 > 6.79e+00 g/l > 3,4,6,7,9,14-hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-16-yl acetate > 0 > NP0274694 > 3,4,6,7,9,14-hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-16-yl acetate $$$$